5-Bromo-2-(2,2,2-trifluoroethoxy)pyrimidine

• Catalog: OFC433683477
• CAS: 433683-47-7
• Category: Fluorinated Pyrimidines
• Synonyms: 5-bromo-2-(trifluoroethoxy)pyrimidine
• Purity: 95%
• MDL Number: MFCD07375136

• IUPAC Name: 5-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine
• InChI: InChI=1S/C6H4BrF3N2O/c7-4-1-11-5(12-2-4)13-3-6(8,9)10/h1-2H,3H2
• InChI Key: CEPMXQTXQLBEDD-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=NC(=N1)OCC(F)(F)F)Br

• Molecular Formula: C6H4BrF3N2O
• Molecular Weight: 257.01
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 255.94591 g/mol
• Monoisotopic Mass: 255.94591 g/mol
• Topological Polar Surface Area: 35Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158